SCHEMBL30935673

SCHEMBL30935673

CC(C)(O)COCc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
FDPS P14324 2/20 0.44
BTN3A1 O00481 1/20 0.44
PDE3A Q14432 1/20 0.44
HSD11B1 P28845 1/20 0.44
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
NAPRT Q6XQN6 1/20 0.42
CYP2D6 P10635 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
KCNA5 P22460 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10202643 0.86 CHRM2 (0.48) CHRM2CHRM1CHRM3CYP1A2HSD11B1
SCHEMBL30964068 0.84 CHRNB2 (0.45) CHRM2CHRM1CHRM3CYP1A2CYP3A4
SCHEMBL13609223 0.84 CHRM2 (0.44) CHRM2CHRM1CHRM3CYP1A2CYP3A4
SCHEMBL7552755 0.83 CHRM2 (0.46) CHRM2CHRM1CHRM3CYP1A2CYP3A4
SCHEMBL3432313 0.83 CHRM2 (0.46) CHRM2CHRM1CHRM3CYP1A2FDPS
SCHEMBL7552787 0.82 CHRNB2 (0.50) CHRM2CHRM1CHRM3CYP1A2HSD11B1
SCHEMBL10202705 0.81 CHRM2 (0.44) CHRM2CHRM1CHRM3CYP1A2FDPS
SCHEMBL7547862 0.81 CHRNA7 (0.46) CHRM2CHRM1CHRM3CYP1A2CYP3A4
SCHEMBL493020 0.80 CYP1A2 (0.56) CHRM2CHRM1CHRM3CYP1A2HSD11B1
SCHEMBL26806573 0.79 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630424-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS Third Harmonic Bio, Inc. (US) 2025-10-15 EP disclosed
WO-2024124002-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed